1-(2,3-dimethylnaphthalen-1-yl)ethanone

C14H14O — CID 19884371

IUPAC1-(2,3-dimethylnaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(C)c(C)cc2ccccc12
InChIInChI=1S/C14H14O/c1-9-8-12-6-4-5-7-13(12)14(10(9)2)11(3)15/h4-8H,1-3H3
InChIKeyUDYAERDXMUUUAB-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.66
Rot. Bonds1

About 1-(2,3-dimethylnaphthalen-1-yl)ethanone

1-(2,3-dimethylnaphthalen-1-yl)ethanone (PubChem CID 19884371) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(2,3-dimethylnaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylnaphthalen-1-yl)ethanone
PubChem CID19884371
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-(2,3-dimethylnaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(C)c(C)cc2ccccc12
InChIInChI=1S/C14H14O/c1-9-8-12-6-4-5-7-13(12)14(10(9)2)11(3)15/h4-8H,1-3H3
InChIKeyUDYAERDXMUUUAB-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethylnaphthalene-2-carbonyl chloride
CID 54124479
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
1-amino-3-methylnaphthalene-2-carboxylic acid
CID 45089580
3-amino-2-methylnaphthalene-1-carboxylic acid
CID 154166226
2-bromo-1-(2-methylnaphthalen-1-yl)ethanone;1-(2-methylnaphthalen-1-yl)ethanone;molecular bromine
CID 162190058
3-acetyl-2-iodooxynaphthalene-1-carboxylic acid
CID 174323119
1-(2,3,4-triacetylpentacen-1-yl)ethanone
CID 87274397
3-(anthracene-9-carbonyl)pentane-2,4-dione
CID 102379798
[1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate
CID 10255362
2-(4-bromophenyl)-3-methylnaphthalene-1-carboxylic acid
CID 174888275
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylnaphthalen-1-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylnaphthalen-1-yl)ethanone (CID 19884371) is 1-(2,3-dimethylnaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylnaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylnaphthalen-1-yl)ethanone is CC(=O)c1c(C)c(C)cc2ccccc12.
What is the InChIKey of 1-(2,3-dimethylnaphthalen-1-yl)ethanone?
The InChIKey is UDYAERDXMUUUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-9-8-12-6-4-5-7-13(12)14(10(9)2)11(3)15/h4-8H,1-3H3.
What are the key properties of 1-(2,3-dimethylnaphthalen-1-yl)ethanone?
1-(2,3-dimethylnaphthalen-1-yl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylnaphthalen-1-yl)ethanone is sourced from PubChem (CID 19884371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).